N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine

C15H23FN2 — CID 107397363

IUPACN-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-2-18(11-12-6-5-7-12)15(10-17)13-8-3-4-9-14(13)16/h3-4,8-9,12,15H,2,5-7,10-11,17H2,1H3
InChIKeyBKVVRENOBCMOHY-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine

N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 107397363) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID107397363
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-2-18(11-12-6-5-7-12)15(10-17)13-8-3-4-9-14(13)16/h3-4,8-9,12,15H,2,5-7,10-11,17H2,1H3
InChIKeyBKVVRENOBCMOHY-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 107397769
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 107397656
1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 63955133
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 63954730
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
CID 63668937
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733450
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 61440999

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine (CID 107397363) is N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine is CCN(CC1CCC1)C(CN)c1ccccc1F.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is BKVVRENOBCMOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-18(11-12-6-5-7-12)15(10-17)13-8-3-4-9-14(13)16/h3-4,8-9,12,15H,2,5-7,10-11,17H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine?
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107397363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).